3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one

C12H15NO3 — CID 59085576

IUPAC3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1c(C)cc(C)c(C(C)=O)c1=O
InChIInChI=1S/C12H15NO3/c1-7-5-8(2)13(6-9(3)14)12(16)11(7)10(4)15/h5H,6H2,1-4H3
InChIKeyBAXFUNFPFWNAAJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.26
Rot. Bonds3

About 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one

3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one (PubChem CID 59085576) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one
PubChem CID59085576
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1c(C)cc(C)c(C(C)=O)c1=O
InChIInChI=1S/C12H15NO3/c1-7-5-8(2)13(6-9(3)14)12(16)11(7)10(4)15/h5H,6H2,1-4H3
InChIKeyBAXFUNFPFWNAAJ-UHFFFAOYSA-N
XLogP1.26
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2(1H)-Pyridone, 3-acetyl-4-hydroxy-1,6-dimethyl-
CID 54691703
1-(1-acetyl-2H-pyridin-6-yl)ethanone
CID 19733602
N-butyl-3-acetyl-2-pyridone
CID 82526873
3-Acetyl-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 172376829
6-Methyl-1-propyl-1,2,3,4-tetrahydropyridine-2,4-dione
CID 66490089
7-Acetylbenzo[a]quinolizin-6-one
CID 132564755
6-methyl-1-[(E)-2-oxopent-3-enyl]pyridin-2-one
CID 146164558
3-Acetyl-1,6-dimethyl-4-(methylamino)-2-pyridone
CID 16205538
1-(2,4-Dioxopentan-3-yl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 53243309
6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one
CID 86102467
7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one
CID 86102469
1-Methyl-6-propanoylpyridin-2-one
CID 12331408

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
The IUPAC name of 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one (CID 59085576) is 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
The canonical SMILES for 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one is CC(=O)Cn1c(C)cc(C)c(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
The InChIKey is BAXFUNFPFWNAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-5-8(2)13(6-9(3)14)12(16)11(7)10(4)15/h5H,6H2,1-4H3.
What are the key properties of 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 59085576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).